Re: On-the-fly eABF: Problem with the tcl script.

From: Emmanuel MOUTOUSSAMY (e.e.moutoussamy_at_gmail.com)
Date: Fri Jan 27 2017 - 02:58:38 CST

Thank you very much Christophe !

I sourced the tcl script from the NAMD 2.12b1 and now it works !

Best regards,
Emmanuel

2017-01-26 14:20 GMT+01:00 Chris Chipot <chipot_at_ks.uiuc.edu>:

> Hi Emmanuel,
>
> sourcing the Tcl script in your NAMD configuration file should do the
> trick — for
> instance,
>
> source /Projects/namd2/bin/2.12b1/Linux64-multicore/lib/eabf/eabf.tcl
>
> Chris Chipot
>
>
> On 1/26/17 1:06 PM, Emmanuel MOUTOUSSAMY wrote:
>
> Hi everyone,
>
>
>
> I would like to use the new eABF implementation published in JCTC last
> summer (Extended Adaptive Biasing Force Algorithm. An on-the-fly
> Implementation for Accurate Free Energy Calculations).
>
>
>
> I tried to run the example provided on the supporting info. However, it
> doesn’t work on my computer. The error message is:
>
> FATAL ERROR: couldn't load file "./libEabf.so": ./libEabf.so: undefined symbol: Tcl_CreateObjCommand
>
> I use the 2.12 version of NAMD. Does anyone know how to fix this problem?
>
>
>
> Thank you in advance!
>
>
>
> Emmanuel MOUTOUSSAMY
>
>
>
> --
>
> Chris Chipot
> CNRS research director, University of Lorraine
> Adjunct professor of physics, University of Illinois at Urbana-Champaign
>
> _______________________________________________________________________
>
> Chris Chipot, Ph.D.
> Theoretical and Computational Biophysics Group
> 3047 Beckman Institute for Advanced Science and Technology
> University of Illinois at Urbana-Champaign
> 405 North Mathews
> Urbana, Illinois 61801 Phone: (217) 244-5493
>
> E-mail: chipot_at_ks.uiuc.edu
> Christophe.Chipot_at_Univ-Lorraine.fr
> Web: http://www.ks.uiuc.edu/~chipot
> http://www.lia-uiuc.cnrs.fr
>
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> _______________________________________________________________________
>
>

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